SCHEMBL2216780

SCHEMBL2216780

CCOC(=O)C1Cc2c([nH]c3ccccc23)C(C)N1

nearest known ligand 0.98

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.98
ALDH1A1 P00352 2/20 0.98
HSD17B10 Q99714 2/20 0.76
TSHR P16473 2/20 0.76
HTT P42858 1/20 0.76
CYP2D6 P10635 2/20 0.63
MAPK1 P28482 2/20 0.63
CYP1A2 P05177 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
CCKBR P32239 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
PDE5A O76074 4/20 0.53
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
KIF11 P52732 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16892184 1.00 KDM4E (0.98) KDM4EALDH1A1HSD17B10TSHRHTT
SCHEMBL28627641 0.87 KDM4E (0.76) KDM4EALDH1A1HSD17B10TSHRHTT
SCHEMBL28632870 0.87 KDM4E (0.76) KDM4EALDH1A1HSD17B10TSHRHTT
SCHEMBL28337770 0.87 KDM4E (0.76) KDM4EALDH1A1HSD17B10TSHRHTT
SCHEMBL2216298 0.87 KDM4E (0.76) KDM4EALDH1A1HSD17B10TSHRHTT
SCHEMBL25282368 0.86 KDM4E (1.00) KDM4EALDH1A1HSD17B10TSHRHTT
SCHEMBL16892189 0.86 KDM4E (1.00) KDM4EALDH1A1HSD17B10TSHRHTT
SCHEMBL17520531 0.86 KDM4E (1.00) KDM4EALDH1A1HSD17B10TSHRHTT
SCHEMBL16491970 0.86 KDM4E (1.00) KDM4EALDH1A1HSD17B10TSHRHTT
SCHEMBL9476492 0.86 KDM4E (1.00) KDM4EALDH1A1HSD17B10TSHRHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114057738-A Synthesis method of chloroindole hydrazide 京博农化科技有限公司 2022-02-18 CN disclosed
US-10208033-B2 β-carboline, dihydro-β-carboline and tetrahydro-β-carboline alkaloid derivatives and preparation methods same and use in aspects of preventing and treating plant viruses, fungicides and insecticides NANKAI UNIVERSITY (CN) 2019-02-19 US disclosed
US-20160326166-A1 ß-CARBOLINE, DIHYDRO-ß-CARBOLINE AND TETRAHYDRO-ß-CARBOLINE ALKALOID DERIVATIVES AND PREPARATION METHODS SAME AND USE IN ASPECTS OF PREVENTING AND TREATING PLANT VIRUSES, FUNGICIDES AND INSECTICIDES NANKAI UNIVERSITY (CN) 2016-11-10 US disclosed
US-20160326166-A1 ß-CARBOLINE, DIHYDRO-ß-CARBOLINE AND TETRAHYDRO-ß-CARBOLINE ALKALOID DERIVATIVES AND PREPARATION METHODS SAME AND USE IN ASPECTS OF PREVENTING AND TREATING PLANT VIRUSES, FUNGICIDES AND INSECTICIDES NANKAI UNIVERSITY (CN) 2016-11-10 US disclosed
US-8772311-B2 Harmine derivatives, intermediates used in their preparations, preparation processes and use thereof XINJIANG HUASHIDAN PHARMACEUTICAL RESEARCH CO., LTD. (CN) 2014-07-08 US disclosed
EP-1634881-B1 HARMINE DERIVATIVES, INTERMEDIATES USED IN THEIR PREPARATION, PREPARATION PROCESSES AND USE THEREOF XINJIANG HUASHIDAN PHARMACEUTICAL RES CO LTD (CN) 2011-07-27 EP disclosed
US-20090227619-A1 Harmine derivatives, intermediates used in their preparations, preparation processes and use therefo XINJIANG HUASHIDAN PHARMACEUTICAL RESEARCH CO., LTD. (CN) 2009-09-10 US disclosed
EP-1593685-B1 Peptide antioxidants from soy protein KRAFT FOODS HOLDINGS INC (US) 2008-07-09 EP disclosed
EP-1634881-A1 HARMINE DERIVATIVES, INTERMEDIATES USED IN THEIR PREPARATION, PREPARATION PROCESSES AND USE THEREOF Xinjiang Huashidan Pharmaceutical Research Co., Ltd. (CN) 2006-03-15 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160326166-A1 ß-CARBOLINE, DIHYDRO-ß-CARBOLINE AND TETRAHYDRO-ß-CARBOLINE ALKALOID DERIVATIVES AND PREPARATION METHODS SAME AND USE IN ASPECTS OF PREVENTING AND TREATING PLANT VIRUSES, FUNGICIDES AND INSECTICIDES DDT, NOTUM, DDAH1 KDM4E 1695/4885ALDH1A1 340/4885HSD17B10 769/4885
US-20090227619-A1 Harmine derivatives, intermediates used in their preparations, preparation processes and use therefo TPH1, HTR1F, TPH2 KDM4E 2869/4885ALDH1A1 324/4885HSD17B10 1360/4885
US-10208033-B2 β-carboline, dihydro-β-carboline and tetrahydro-β-carboline alkaloid derivatives and preparation methods same and use in aspects of preventing and treating plant viruses, fungicides and insecticides DDT, ZC3HAV1, NOTUM KDM4E 1731/4885ALDH1A1 389/4885HSD17B10 775/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.